UCSF

ZINC41685192

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 6.58 -52.78 3 5 1 72 299.778 9
Hi High (pH 8-9.5) 1.65 5.24 -11.12 2 5 0 67 298.77 9

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )